N,N-dibutyl-1-cyanobutane-1-sulfonamide

C13H26N2O2S — CID 150477828

IUPACN,N-dibutyl-1-cyanobutane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C#N)CCC
InChIInChI=1S/C13H26N2O2S/c1-4-7-10-15(11-8-5-2)18(16,17)13(12-14)9-6-3/h13H,4-11H2,1-3H3
InChIKeyHTEBCJMVWFFBLR-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.91
Rot. Bonds10

About N,N-dibutyl-1-cyanobutane-1-sulfonamide

N,N-dibutyl-1-cyanobutane-1-sulfonamide (PubChem CID 150477828) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,N-dibutyl-1-cyanobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1-cyanobutane-1-sulfonamide
PubChem CID150477828
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN,N-dibutyl-1-cyanobutane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C#N)CCC
InChIInChI=1S/C13H26N2O2S/c1-4-7-10-15(11-8-5-2)18(16,17)13(12-14)9-6-3/h13H,4-11H2,1-3H3
InChIKeyHTEBCJMVWFFBLR-UHFFFAOYSA-N
XLogP2.91
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-cyanobutane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-1-cyanobutane-1-sulfonamide (CID 150477828) is N,N-dibutyl-1-cyanobutane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-1-cyanobutane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-1-cyanobutane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)C(C#N)CCC.
What is the InChIKey of N,N-dibutyl-1-cyanobutane-1-sulfonamide?
The InChIKey is HTEBCJMVWFFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-7-10-15(11-8-5-2)18(16,17)13(12-14)9-6-3/h13H,4-11H2,1-3H3.
What are the key properties of N,N-dibutyl-1-cyanobutane-1-sulfonamide?
N,N-dibutyl-1-cyanobutane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-cyanobutane-1-sulfonamide is sourced from PubChem (CID 150477828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).